GB7

(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one

Created:	2008-06-11
Last modified:	2011-06-04

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1 entries where GB7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	4
Bond Count	41
Aromatic Bond Count	6

2D diagram of GB7

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Chemical Component Summary
Name	(3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-1-methylpyrrolidin-2-one
Systematic Name (OpenEye OEToolkits)	(3R,4R,5R)-3,4-dihydroxy-5-[[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]methyl]-1-methyl-pyrrolidin-2-one
Formula	C₁₄ H₂₀ N₂ O₄
Molecular Weight	280.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2N(C)C(CNC(c1ccccc1)CO)C(O)C2O
SMILES	CACTVS	3.341	CN1[CH](CN[CH](CO)c2ccccc2)[CH](O)[CH](O)C1=O
SMILES	OpenEye OEToolkits	1.5.0	CN1C(C(C(C1=O)O)O)CNC(CO)c2ccccc2
Canonical SMILES	CACTVS	3.341	CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2
InChI	InChI	1.03	InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1
InChIKey	InChI	1.03	DNDCXXSXVWBCJF-UMSGYPCISA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL476926
PubChem	24832046
ChEMBL	CHEMBL476926

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